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I was following manual run CMake with `-DSCINE_BUILD_PYTHON_BINDINGS=ON`
but the python libraries are in different dirctory, in manula is this
```
export PYTHONPATH=$PYTHONPATH:/install/lib/pytho…
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The position of the page number in the chapter page header in the Chemistry template is different in the PDF on naginata than the annotated template.
**Annotated Template**
![chem_page_header_templa…
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The following is a brief, cascading outline of all contributions to thermochemistry:
- [x] G = H - T * S
- [x] H = U + kB * T
- [x] U = E(el) + E(ZPE) + E(vib) + E(rot) + E(trans)
- [x] …
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**Submitting author:** @jranalli (Joseph Ranalli)
**Repository:** https://github.com/chmarti1/PYroMat
**Branch with paper.md** (empty if default branch): joss2022
**Version:** 2.2.4
**Editor:** @jgost…
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This issue is observed on Mac x86, and Lassen GPUs. In both cases, several successful runs are followed by a hang, and all subsequent runs will hang.
To reproduce:
- Install: `parallel-lazy` bra…
MTCam updated
2 years ago
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## Bug Description
As seen in the following image, Thermochimica GUI is reporting an _incorrect result_ for non-solvable systems instead of graceful exit with error message.
![image](https://user-…
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We could benefit from a high-level interface, defined as an interface that deals with logfile and model objects directly. All functions would be higher-level versions of internal procedures. This is r…
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We want to show more useful data in the list view of the species/rxn search so the user doesn't have to click on the detail view all the time.
- [x] #95
- [x] #96
- [x] #113
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### Bug Description
I am trying to simulate the mechanism for chlorinated carbon compounds. However, I encountered the following error during RMG simulation "`AttributeError: 'rmgpy.thermo.nasa.…
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**Abstract**
Blowers-Masel approximation allows Cantera to automatically adjust reaction barrier height when species' enthalpies in a reaction are changed. The using case should be, for example, wh…